4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol

C22H18O4 — CID 71680339

IUPAC4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
SMILESOc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)c(O)c3)cc2)cc1O
InChIInChI=1S/C22H18O4/c23-19-11-9-17(13-21(19)25)7-5-15-1-2-16(4-3-15)6-8-18-10-12-20(24)22(26)14-18/h1-14,23-26H/b7-5+,8-6+
InChIKeyRCNLWBWFWORIOB-KQQUZDAGSA-N
MW346.38 g/mol
LogP4.85
Rot. Bonds4

About 4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol

4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol (PubChem CID 71680339) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
PubChem CID71680339
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
SMILESOc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)c(O)c3)cc2)cc1O
InChIInChI=1S/C22H18O4/c23-19-11-9-17(13-21(19)25)7-5-15-1-2-16(4-3-15)6-8-18-10-12-20(24)22(26)14-18/h1-14,23-26H/b7-5+,8-6+
InChIKeyRCNLWBWFWORIOB-KQQUZDAGSA-N
XLogP4.85
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
CID 143585008
4-[2-[4-[[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzene-1,2-diol
CID 136610654
4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide
CID 173142705
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide
CID 175302476
methyl 4-[2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 68977211
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 689043
4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene-1,2-diol
CID 102235179
3-(3,4-dihydroxyphenyl)prop-2-enethioic S-acid
CID 78183914
acetic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 159549195
1-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]-3-phenylurea
CID 57339937

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol (CID 71680339) is 4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol is Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)c(O)c3)cc2)cc1O.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol?
The InChIKey is RCNLWBWFWORIOB-KQQUZDAGSA-N. The full InChI is InChI=1S/C22H18O4/c23-19-11-9-17(13-21(19)25)7-5-15-1-2-16(4-3-15)6-8-18-10-12-20(24)22(26)14-18/h1-14,23-26H/b7-5+,8-6+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol?
4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol has a molecular weight of 346.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol is sourced from PubChem (CID 71680339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).